CID 83565

13538-10-8

Structural Information

Molecular Formula
C11H16NO5P
SMILES
CCOP(=O)(C(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H16NO5P/c1-4-16-18(15,9(2)3)17-11-7-5-10(6-8-11)12(13)14/h5-9H,4H2,1-3H3
InChIKey
LRKIJHNJIXGRCI-UHFFFAOYSA-N
Compound name
1-[ethoxy(propan-2-yl)phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08388 156.2
[M+Na]+ 296.06582 166.8
[M+NH4]+ 291.11042 162.0
[M+K]+ 312.03976 165.7
[M-H]- 272.06932 156.9
[M+Na-2H]- 294.05127 160.3
[M]+ 273.07605 157.5
[M]- 273.07715 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.